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74532-32-4 | 1H-Imidazole, 4-nitro-1-(phenylsulfonyl)-
CAS No: 74532-32-4 Catalog No: AG005ARF MDL No:
Product Description
Catalog Number:
AG005ARF
Chemical Name:
1H-Imidazole, 4-nitro-1-(phenylsulfonyl)-
CAS Number:
74532-32-4
Molecular Formula:
C9H7N3O4S
Molecular Weight:
253.2346
IUPAC Name:
1-(benzenesulfonyl)-4-nitroimidazole
InChI:
InChI=1S/C9H7N3O4S/c13-12(14)9-6-11(7-10-9)17(15,16)8-4-2-1-3-5-8/h1-7H
InChI Key:
BECYHQLKGKPVHW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1)S(=O)(=O)c1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.232g/mol
Monoisotopic Mass:
253.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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